N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide

C24H31N3O2S — CID 55852028

IUPACN-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C(=O)N1CCc2sccc2C1)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2S/c1-18(24(29)27-15-11-22-20(17-27)12-16-30-22)26-13-9-21(10-14-26)25-23(28)8-7-19-5-3-2-4-6-19/h2-6,12,16,18,21H,7-11,13-15,17H2,1H3,(H,25,28)
InChIKeyOZQOOKJYCBHUCT-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.23
Rot. Bonds6

About N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55852028) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55852028
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C(=O)N1CCc2sccc2C1)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2S/c1-18(24(29)27-15-11-22-20(17-27)12-16-30-22)26-13-9-21(10-14-26)25-23(28)8-7-19-5-3-2-4-6-19/h2-6,12,16,18,21H,7-11,13-15,17H2,1H3,(H,25,28)
InChIKeyOZQOOKJYCBHUCT-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 56813373
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47056200
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidine-4-sulfonamide
CID 75434529
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55851616
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 51121033
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butane-1,4-dione
CID 86890818
N-(1-acetylpiperidin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 138994042
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide (CID 55852028) is N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide is CC(C(=O)N1CCc2sccc2C1)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is OZQOOKJYCBHUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-18(24(29)27-15-11-22-20(17-27)12-16-30-22)26-13-9-21(10-14-26)25-23(28)8-7-19-5-3-2-4-6-19/h2-6,12,16,18,21H,7-11,13-15,17H2,1H3,(H,25,28).
What are the key properties of N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 425.60 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-oxopropan-2-yl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55852028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).